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	hartrees
Energy at 0K	-178.971087
Energy at 298.15K	-178.976646
HF Energy	-178.971087
Nuclear repulsion energy	79.391158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3001	19.99
2	A'	3095	2931	40.15
3	A'	3090	2926	10.40
4	A'	1562	1479	0.45
5	A'	1530	1449	1.84
6	A'	1468	1390	38.00
7	A'	1426	1351	2.17
8	A'	1172	1110	68.92
9	A'	1117	1057	28.95
10	A'	921	872	7.18
11	A'	408	386	5.69
12	A"	3181	3012	32.09
13	A"	3137	2971	32.65
14	A"	1512	1432	4.48
15	A"	1321	1251	0.06
16	A"	1210	1146	5.93
17	A"	811	768	0.56
18	A"	241	228	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	1.116	-0.461	0.000
F3	-1.219	-0.092	0.000
H4	0.043	1.199	0.889
H5	0.043	1.199	-0.889
H6	2.091	0.034	0.000
H7	1.048	-1.097	0.887
H8	1.048	-1.097	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5127	1.3822	1.0956	1.0956	2.1559	2.1515	2.1515
C2	1.5127		2.3633	2.1672	2.1672	1.0939	1.0929	1.0929
F3	1.3822	2.3633		2.0123	2.0123	3.3118	2.6328	2.6328
H4	1.0956	2.1672	2.0123		1.7782	2.5177	2.5055	3.0711
H5	1.0956	2.1672	2.0123	1.7782		2.5177	3.0711	2.5055
H6	2.1559	1.0939	3.3118	2.5177	2.5177		1.7758	1.7758
H7	2.1515	1.0929	2.6328	2.5055	3.0711	1.7758		1.7735
H8	2.1515	1.0929	2.6328	3.0711	2.5055	1.7758	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.572	C1	C2	H7	110.282
C1	C2	H8	110.282	C2	C1	F3	109.365
C2	C1	H4	111.377	C2	C1	H5	111.377
F3	C1	H4	108.055	F3	C1	H5	108.055
H4	C1	H5	108.497	H6	C2	H7	108.592
H6	C2	H8	108.592	H7	C2	H8	108.461

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: M06-2X/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.036
2	C	-0.518
3	F	-0.330
4	H	0.146
5	H	0.146
6	H	0.162
7	H	0.178
8	H	0.178

	x	y	z	Total
	1.618	0.656	0.000	1.746
CHELPG
AIM
ESP

	x	y	z
x	3.446	-0.074	0.000
y	-0.074	3.473	0.000
z	0.000	0.000	3.395

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)